Home Other Building Blocks 1-{2,7-diazaspiro[3.5]nonan-7-yl}ethan-1-one, trifluoroacetic acid

1-{2,7-diazaspiro[3.5]nonan-7-yl}ethan-1-one, trifluoroacetic acid

CAS No.:
2138080-67-6
Catalog Number:
AG01EJ4B
Molecular Formula:
C11H17F3N2O3
Molecular Weight:
282.2595
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Product Description
Catalog Number:
AG01EJ4B
Chemical Name:
1-{2,7-diazaspiro[3.5]nonan-7-yl}ethan-1-one, trifluoroacetic acid
CAS Number:
2138080-67-6
Molecular Formula:
C11H17F3N2O3
Molecular Weight:
282.2595
MDL Number:
MFCD31559230
IUPAC Name:
1-(2,7-diazaspiro[3.5]nonan-7-yl)ethanone;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C9H16N2O.C2HF3O2/c1-8(12)11-4-2-9(3-5-11)6-10-7-9;3-2(4,5)1(6)7/h10H,2-7H2,1H3;(H,6,7)
InChI Key:
JUEZZBKHZKYQIX-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.CC(=O)N1CCC2(CC1)CNC2
Properties
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.119g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
282.263g/mol
Monoisotopic Mass:
282.119g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties